Materials Data on Er3Mg by Materials Project

Abstract

MgEr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Er atoms to form MgEr12 cuboctahedra that share corners with six equivalent MgEr12 cuboctahedra, corners with twelve equivalent ErEr8Mg4 cuboctahedra, edges with eighteen equivalent ErEr8Mg4 cuboctahedra, faces with eight equivalent MgEr12 cuboctahedra, and faces with twelve equivalent ErEr8Mg4 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.48 Å) Mg–Er bond lengths. Er is bonded to four equivalent Mg and eight equivalent Er atoms to form ErEr8Mg4 cuboctahedra that share corners with four equivalent MgEr12 cuboctahedra, corners with fourteen equivalent ErEr8Mg4 cuboctahedra, edges with six equivalent MgEr12 cuboctahedra, edges with twelve equivalent ErEr8Mg4 cuboctahedra, faces with four equivalent MgEr12 cuboctahedra, and faces with sixteen equivalent ErEr8Mg4 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.42–3.54 Å.